============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 10 0.840 79.674 -81.458 72.268 -99.200 -91.000 TYR 16 0.840 72.120 -67.007 53.719 -99.200 -91.000 TYR 21 0.840 69.562 -63.633 56.220 -99.200 -91.000 TRP 23 1.040 70.424 -59.081 60.118 -99.200 -91.000 TRP6 23 1.020 70.011 -57.677 61.982 -99.200 -91.000 PHE 51 1.000 71.344 -67.587 71.117 -99.200 -91.000 TYR 58 0.840 67.261 -60.595 64.531 -99.200 -91.000 HIS 62 0.900 77.382 -62.094 74.140 -99.200 -91.000 PHE 69 1.000 72.522 -70.542 81.990 -99.200 -91.000 HIS 94 0.900 68.152 -69.585 93.776 -99.200 -91.000 HIS 99 0.900 72.366 -62.434 81.813 -99.200 -91.000 TYR 101 0.840 71.867 -64.448 75.715 -99.200 -91.000 PHE 106 1.000 72.734 -75.401 79.960 -99.200 -91.000 PHE 110 1.000 67.553 -79.137 81.550 -99.200 -91.000 TRP 111 1.040 60.334 -78.325 77.192 -99.200 -91.000 TRP6 111 1.020 58.142 -79.147 77.539 -99.200 -91.000 TRP 123 1.040 54.259 -83.932 67.576 -99.200 -91.000 TRP6 123 1.020 52.299 -85.201 67.971 -99.200 -91.000 TYR 137 0.840 59.453 -66.769 56.361 -99.200 -91.000 HIS 155 0.900 60.505 -69.378 45.886 -99.200 -91.000 TYR 160 0.840 57.851 -72.762 49.776 -99.200 -91.000 PHE 163 1.000 55.847 -65.871 47.479 -99.200 -91.000 TRP 171 1.040 63.442 -42.976 53.964 -99.200 -91.000 TRP6 171 1.020 61.796 -41.783 52.760 -99.200 -91.000 TRP 199 1.040 62.468 -48.535 57.105 -99.200 -91.000 TRP6 199 1.020 60.531 -49.854 56.798 -99.200 -91.000 TYR 216 0.840 53.059 -52.999 53.159 -99.200 -91.000 TYR 225 0.840 54.167 -52.064 72.173 -99.200 -91.000 HIS 249 0.900 56.149 -56.362 81.775 -99.200 -91.000 PHE 282 1.000 48.716 -63.232 77.709 -99.200 -91.000 TRP 296 1.040 71.170 -68.535 60.948 -99.200 -91.000 TRP6 296 1.020 69.926 -67.425 59.274 -99.200 -91.000 HIS 307 0.900 58.860 -81.992 68.085 -99.200 -91.000 PHE 308 1.000 56.717 -71.769 69.954 -99.200 -91.000 PHE 316 1.000 43.351 -67.723 66.757 -99.200 -91.000 TYR 326 0.840 66.399 -69.670 55.688 -99.200 -91.000 HIS 339 0.900 54.742 -83.552 51.294 -99.200 -91.000 TYR 344 0.840 54.094 -81.764 57.033 -99.200 -91.000 PHE 357 1.000 77.785 -86.420 70.232 -99.200 -91.000 TRP 367 1.040 80.777 -77.347 83.920 -99.200 -91.000 TRP6 367 1.020 80.373 -76.435 81.775 -99.200 -91.000